SCHEMBL7971994

SCHEMBL7971994

Cc1ccc(-c2ccc(C3(C)OC(=O)C(O)=C3O)cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
APP P05067 4/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
SLC6A7 Q99884 1/20 0.34
HSD17B1 P14061 3/20 0.34
HSD17B2 P37059 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
WRN Q14191 2/20 0.34
CNR1 P21554 1/20 0.33
NQO2 P16083 1/20 0.33
ERN1 O75460 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
QPCT Q16769 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7972438 0.82 ESR2 (0.42) ESR1ESR2HCAR3HCAR2QPCT
SCHEMBL7967042 0.82 PGR (0.36) PGRAPPESR1ESR2SLC6A7
SCHEMBL6026628 0.80 MEN1 (0.37) HCAR3HCAR2
SCHEMBL7971836 0.78 APP (0.49) APP
SCHEMBL7984718 0.78 CHRNA1 (0.42) HCAR3HCAR2HDAC1
SCHEMBL6932927 0.78 CHRNA1 (0.42) HCAR3HCAR2HDAC1
SCHEMBL7966664 0.76 HCAR2 (0.46) PGRCYP3A4CYP2C19HCAR3HCAR2
SCHEMBL6934036 0.76 PTGS2 (0.37) HCAR3HCAR2
SCHEMBL7030070 0.76 HCAR2 (0.46) PGRCYP3A4CYP2C19HCAR3HCAR2
SCHEMBL7593441 0.76 ALDH1A1 (0.38) PGRHCAR3HCAR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed